
     Program PHONON v.> 4.2     starts on 25Oct2010 at 18:42: 6 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO

     Parallel version (MPI), running on     1 processors

     Ultrasoft (Vanderbilt) Pseudopotentials

     Planes per process (thick) : nr3 =  15 npp =   15 ncplane =   225
 
     Proc/  planes cols     G    planes cols    G      columns  G
     Pool       (dense grid)       (smooth grid)      (wavefct grid)
        1    15    121      869   15    121      869     43      181
 


     Dynamical matrices for ( 4, 4, 4,)  uniform grid of q-points
     (   8q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2  -0.250000000   0.250000000  -0.250000000
       3   0.500000000  -0.500000000   0.500000000
       4   0.000000000   0.500000000   0.000000000
       5   0.750000000  -0.250000000   0.750000000
       6   0.500000000   0.000000000   0.500000000
       7   0.000000000  -1.000000000   0.000000000
       8  -0.500000000  -1.000000000   0.000000000

     Calculation of q =   -0.2500000   0.2500000  -0.2500000

     Planes per process (thick) : nr3 =  15 npp =   15 ncplane =   225
 
     Proc/  planes cols     G    planes cols    G      columns  G
     Pool       (dense grid)       (smooth grid)      (wavefct grid)
        1    15    121      869   15    121      869     55      259
 


     bravais-lattice index     =            2
     lattice parameter (a_0)   =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC (1100)
     EXX-fraction              =        0.00

     celldm(1)=   7.500000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of a_0)
               a(1) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/a_0)
               b(1) = ( -1.000000 -1.000000  1.000000 )  
               b(2) = (  1.000000  1.000000  1.000000 )  
               b(3) = ( -1.000000  1.000000 -1.000000 )  


     PseudoPot. # 1 for Al read from file Al.pz-vbc.UPF
     MD5 check sum: c34c8b369e81ee50c191f4345b5f621b
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym.Ops. (with inversion)


   Cartesian axes

     site n.     atom                  positions (a_0 units)
         1           Al  tau(  1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   240  Methfessel-Paxton smearing, width (Ry)=  0.0500

     Number of k-points >= 100: set verbosity='high' to print them.

     G cutoff =   85.4897  (    869 G-vectors)     FFT grid: ( 15, 15, 15)

     Largest allocated arrays     est. size (Mb)     dimensions
        Kohn-Sham Wavefunctions         0.01 Mb     (    113,   6)
        NL pseudopotentials             0.01 Mb     (    113,   4)
        Each V/rho on FFT grid          0.05 Mb     (   3375)
        Each G-vector array             0.01 Mb     (    869)
        G-vector shells                 0.00 Mb     (     31)
     Largest temporary arrays     est. size (Mb)     dimensions
        Auxiliary wavefunctions         0.04 Mb     (    113,  24)
        Each subspace H/S matrix        0.01 Mb     (     24,  24)
        Each <psi_i|beta_j> matrix      0.00 Mb     (      4,   6)

     The potential is recalculated from file :
     /home/dalcorso/tmp/_ph0al_q2/al.save/charge-density.dat

     Starting wfc are    9 atomic wfcs

     total cpu time spent up to now is      0.03 secs

     per-process dynamical memory:     3.0 Mb

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 10.3

     total cpu time spent up to now is      3.36 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000     band energies (ev):

    -3.1903  21.1794  21.1794  21.1794  22.5563  22.5563

          k =-0.2500 0.2500-0.2500     band energies (ev):

    -1.4191  11.7924  19.3975  19.3975  23.3429  23.3429

          k =-0.1250 0.1250-0.1250     band energies (ev):

    -2.7430  16.7428  20.1791  20.1791  23.2676  24.1718

          k =-0.3750 0.3750-0.3750     band energies (ev):

     0.7474   7.4150  19.3066  19.3066  21.3013  21.3013

          k =-0.2500 0.2500-0.2500     band energies (ev):

    -1.4191  11.7924  19.3975  19.3975  23.3429  23.3429

          k =-0.5000 0.5000-0.5000     band energies (ev):

     3.5959   3.8204  19.9001  19.9001  19.9676  19.9676

          k =-0.3750 0.3750-0.3750     band energies (ev):

     0.7474   7.4150  19.3066  19.3066  21.3013  21.3013

          k =-0.6250 0.6250-0.6250     band energies (ev):

     0.7474   7.4150  19.3066  19.3066  21.3013  21.3013

          k = 0.5000-0.5000 0.5000     band energies (ev):

     3.5959   3.8204  19.9001  19.9001  19.9676  19.9676

          k = 0.2500-0.2500 0.2500     band energies (ev):

    -1.4191  11.7924  19.3975  19.3975  23.3429  23.3429

          k = 0.0000 0.2500 0.0000     band energies (ev):

    -2.5961  18.3812  18.3812  18.5812  21.4901  23.2599

          k =-0.2500 0.5000-0.2500     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k =-0.1250 0.3750-0.1250     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k =-0.3750 0.6250-0.3750     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k =-0.2500 0.5000-0.2500     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k =-0.5000 0.7500-0.5000     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k = 0.6250-0.3750 0.6250     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k = 0.3750-0.1250 0.3750     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k = 0.5000-0.2500 0.5000     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k = 0.2500 0.0000 0.2500     band energies (ev):

    -2.0059  14.8070  16.1747  22.3353  22.5316  23.9983

          k = 0.3750-0.1250 0.3750     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k = 0.1250 0.1250 0.1250     band energies (ev):

    -2.7430  16.7428  20.1791  20.1791  23.2676  24.1718

          k = 0.2500 0.0000 0.2500     band energies (ev):

    -2.0059  14.8070  16.1747  22.3353  22.5316  23.9983

          k = 0.0000 0.2500 0.0000     band energies (ev):

    -2.5961  18.3812  18.3812  18.5812  21.4901  23.2599

          k = 0.0000 0.5000 0.0000     band energies (ev):

    -0.8350  15.7887  15.9794  15.9794  16.6949  19.6306

          k =-0.2500 0.7500-0.2500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k =-0.1250 0.6250-0.1250     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k =-0.3750 0.8750-0.3750     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k = 0.7500-0.2500 0.7500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k = 0.5000 0.0000 0.5000     band energies (ev):

     1.4602   9.5233  11.1705  17.9587  19.9901  26.2533

          k = 0.6250-0.1250 0.6250     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k = 0.3750 0.1250 0.3750     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k = 0.5000 0.0000 0.5000     band energies (ev):

     1.4602   9.5233  11.1705  17.9587  19.9901  26.2533

          k = 0.2500 0.2500 0.2500     band energies (ev):

    -1.4191  11.7924  19.3975  19.3975  23.3429  23.3429

          k = 0.0000 0.7500 0.0000     band energies (ev):

     2.0193  10.9280  14.0599  14.5358  14.5358  18.2073

          k =-0.2500 1.0000-0.2500     band energies (ev):

     6.3734   6.8680   7.9531  15.0263  16.6761  24.2859

          k = 0.8750-0.1250 0.8750     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k = 0.6250 0.1250 0.6250     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k = 0.7500 0.0000 0.7500     band energies (ev):

     6.3734   6.8680   7.9531  15.0263  16.6761  24.2859

          k = 0.5000 0.2500 0.5000     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k = 0.0000-1.0000 0.0000     band energies (ev):

     5.3325   6.6439  13.4765  14.0564  14.0564  17.6955

          k =-0.2500-0.7500-0.2500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k =-0.2500 0.5000 0.0000     band energies (ev):

    -0.2568  12.1645  13.7103  17.2562  20.6548  22.4779

          k =-0.5000 0.7500-0.2500     band energies (ev):

     4.6529   4.9630  13.3015  13.9662  21.8095  22.3651

          k = 0.6250-0.3750 0.8750     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.3750-0.1250 0.6250     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.5000-0.2500 0.7500     band energies (ev):

     4.6529   4.9630  13.3015  13.9662  21.8095  22.3651

          k = 0.2500 0.0000 0.5000     band energies (ev):

    -0.2568  12.1645  13.7103  17.2562  20.6548  22.4779

          k = 0.7500-0.2500 1.0000     band energies (ev):

     2.5827  10.5751  11.2912  12.4301  19.1123  21.2515

          k = 0.5000 0.0000 0.7500     band energies (ev):

     4.2441   7.9414   9.5098  13.1697  21.6040  24.9645

          k = 0.6250-0.1250 0.8750     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k = 0.3750 0.1250 0.6250     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.5000 0.0000 0.7500     band energies (ev):

     4.2441   7.9414   9.5098  13.1697  21.6040  24.9645

          k = 0.2500 0.2500 0.5000     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k =-0.2500-1.0000 0.0000     band energies (ev):

     5.8516   7.2029  10.0447  11.7575  18.5868  20.8034

          k =-0.5000-0.7500-0.2500     band energies (ev):

     4.6529   4.9630  13.3015  13.9662  21.8095  22.3651

          k =-0.5000-1.0000 0.0000     band energies (ev):

     7.4165   7.4165   8.3727   9.6366  24.4642  24.8680

          k =-0.7500-0.7500-0.2500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k = 0.1250-0.1250-0.1250     band energies (ev):

    -2.7430  16.7428  20.1791  20.1791  23.2676  24.1718

          k =-0.1250 0.1250-0.3750     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k = 0.1250-0.1250 0.1250     band energies (ev):

    -2.7430  16.7428  20.1791  20.1791  23.2676  24.1718

          k =-0.1250 0.1250-0.1250     band energies (ev):

    -2.7430  16.7428  20.1791  20.1791  23.2676  24.1718

          k =-0.1250-0.1250-0.1250     band energies (ev):

    -2.7430  16.7428  20.1791  20.1791  23.2676  24.1718

          k =-0.3750 0.1250-0.3750     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k = 0.2500-0.2500-0.2500     band energies (ev):

    -1.4191  11.7924  19.3975  19.3975  23.3429  23.3429

          k = 0.0000 0.0000-0.5000     band energies (ev):

    -0.8350  15.7887  15.9794  15.9794  16.6949  19.6306

          k = 0.2500-0.2500 0.2500     band energies (ev):

    -1.4191  11.7924  19.3975  19.3975  23.3429  23.3429

          k = 0.0000 0.0000 0.0000     band energies (ev):

    -3.1903  21.1794  21.1794  21.1794  22.5563  22.5563

          k =-0.2500-0.2500-0.2500     band energies (ev):

    -1.4191  11.7924  19.3975  19.3975  23.3429  23.3429

          k =-0.5000 0.0000-0.5000     band energies (ev):

     1.4602   9.5233  11.1705  17.9587  19.9901  26.2533

          k = 0.3750-0.3750-0.3750     band energies (ev):

     0.7474   7.4150  19.3066  19.3066  21.3013  21.3013

          k = 0.1250-0.1250-0.6250     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k = 0.3750-0.3750 0.3750     band energies (ev):

     0.7474   7.4150  19.3066  19.3066  21.3013  21.3013

          k = 0.1250-0.1250 0.1250     band energies (ev):

    -2.7430  16.7428  20.1791  20.1791  23.2676  24.1718

          k =-0.3750-0.3750-0.3750     band energies (ev):

     0.7474   7.4150  19.3066  19.3066  21.3013  21.3013

          k =-0.6250-0.1250-0.6250     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k =-0.5000 0.5000 0.5000     band energies (ev):

     3.5959   3.8204  19.9001  19.9001  19.9676  19.9676

          k =-0.7500 0.7500 0.2500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k = 0.0000 0.0000 0.2500     band energies (ev):

    -2.5961  18.3812  18.3812  18.5812  21.4901  23.2599

          k =-0.2500 0.2500 0.0000     band energies (ev):

    -2.0059  14.8070  16.1747  22.3353  22.5316  23.9983

          k = 0.1250-0.1250-0.3750     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k =-0.1250 0.1250-0.6250     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k = 0.1250-0.1250 0.3750     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k =-0.1250 0.1250 0.1250     band energies (ev):

    -2.7430  16.7428  20.1791  20.1791  23.2676  24.1718

          k = 0.1250-0.3750-0.1250     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k =-0.1250-0.1250-0.3750     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k =-0.1250-0.3750-0.1250     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k =-0.3750-0.1250-0.3750     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k =-0.1250 0.3750 0.1250     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k =-0.3750 0.6250-0.1250     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.2500-0.2500-0.5000     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k = 0.0000 0.0000-0.7500     band energies (ev):

     2.0193  10.9280  14.0599  14.5358  14.5358  18.2073

          k = 0.2500-0.2500 0.5000     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k = 0.0000 0.0000 0.2500     band energies (ev):

    -2.5961  18.3812  18.3812  18.5812  21.4901  23.2599

          k = 0.2500-0.5000-0.2500     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k = 0.0000-0.2500-0.5000     band energies (ev):

    -0.2568  12.1645  13.7103  17.2562  20.6548  22.4779

          k =-0.2500-0.5000-0.2500     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k =-0.5000-0.2500-0.5000     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k =-0.2500 0.5000 0.2500     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k =-0.5000 0.7500 0.0000     band energies (ev):

     4.2441   7.9414   9.5098  13.1697  21.6040  24.9645

          k =-0.6250 0.6250 0.3750     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k =-0.8750 0.8750 0.1250     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k =-0.6250 0.6250-0.3750     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k =-0.8750 0.8750-0.6250     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k =-0.6250 0.3750 0.6250     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k =-0.8750 0.6250 0.3750     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.6250 0.3750 0.6250     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k = 0.3750 0.6250 0.3750     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k = 0.6250-0.3750-0.6250     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k = 0.3750-0.1250-0.8750     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.5000 0.5000 0.2500     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k =-0.7500 0.7500 0.0000     band energies (ev):

     6.3734   6.8680   7.9531  15.0263  16.6761  24.2859

          k =-0.5000 0.5000-0.2500     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k =-0.7500 0.7500-0.5000     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k =-0.5000 0.2500 0.5000     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k =-0.7500 0.5000 0.2500     band energies (ev):

     4.6529   4.9630  13.3015  13.9662  21.8095  22.3651

          k = 0.5000 0.2500 0.5000     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k = 0.2500 0.5000 0.2500     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k = 0.5000-0.2500-0.5000     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k = 0.2500 0.0000-0.7500     band energies (ev):

     2.5827  10.5751  11.2912  12.4301  19.1123  21.2515

          k =-0.3750 0.3750 0.1250     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k =-0.6250 0.6250-0.1250     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k =-0.3750 0.3750-0.1250     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k =-0.6250 0.6250-0.3750     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k =-0.3750 0.1250 0.3750     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k =-0.6250 0.3750 0.1250     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.3750 0.1250 0.3750     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k = 0.1250 0.3750 0.1250     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k = 0.3750-0.1250-0.3750     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k = 0.1250 0.1250-0.6250     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k =-0.2500 0.2500 0.0000     band energies (ev):

    -2.0059  14.8070  16.1747  22.3353  22.5316  23.9983

          k =-0.5000 0.5000-0.2500     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k =-0.2500 0.0000 0.2500     band energies (ev):

    -2.0059  14.8070  16.1747  22.3353  22.5316  23.9983

          k =-0.5000 0.2500 0.0000     band energies (ev):

    -0.2568  12.1645  13.7103  17.2562  20.6548  22.4779

          k = 0.0000 0.0000 0.5000     band energies (ev):

    -0.8350  15.7887  15.9794  15.9794  16.6949  19.6306

          k =-0.2500 0.2500 0.2500     band energies (ev):

    -1.4191  11.7924  19.3975  19.3975  23.3429  23.3429

          k = 0.1250-0.1250-0.6250     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k =-0.1250 0.1250-0.8750     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k = 0.1250-0.1250 0.6250     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k =-0.1250 0.1250 0.3750     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k = 0.1250-0.6250-0.1250     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k =-0.1250-0.3750-0.3750     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k =-0.1250-0.6250-0.1250     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k =-0.3750-0.3750-0.3750     band energies (ev):

     0.7474   7.4150  19.3066  19.3066  21.3013  21.3013

          k =-0.1250 0.6250 0.1250     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k =-0.3750 0.8750-0.1250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.7500 0.7500 0.2500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k =-1.0000 1.0000 0.0000     band energies (ev):

     5.3325   6.6439  13.4765  14.0564  14.0564  17.6955

          k =-0.7500 0.7500-0.2500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k =-1.0000 1.0000-0.5000     band energies (ev):

    -0.8350  15.7887  15.9794  15.9794  16.6949  19.6306

          k =-0.7500 0.2500 0.7500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k =-1.0000 0.5000 0.5000     band energies (ev):

     1.4602   9.5233  11.1705  17.9587  19.9901  26.2533

          k = 0.7500 0.2500 0.7500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k = 0.5000 0.5000 0.5000     band energies (ev):

     3.5959   3.8204  19.9001  19.9001  19.9676  19.9676

          k = 0.7500-0.2500-0.7500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k = 0.5000 0.0000-1.0000     band energies (ev):

     7.4165   7.4165   8.3727   9.6366  24.4642  24.8680

          k =-0.6250 0.6250 0.1250     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k =-0.8750 0.8750-0.1250     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k =-0.6250 0.6250-0.1250     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k =-0.8750 0.8750-0.3750     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k =-0.6250 0.1250 0.6250     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k =-0.8750 0.3750 0.3750     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k = 0.6250 0.1250 0.6250     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k = 0.3750 0.3750 0.3750     band energies (ev):

     0.7474   7.4150  19.3066  19.3066  21.3013  21.3013

          k = 0.6250-0.1250-0.6250     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k = 0.3750 0.1250-0.8750     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.5000 0.5000 0.0000     band energies (ev):

     1.4602   9.5233  11.1705  17.9587  19.9901  26.2533

          k =-0.7500 0.7500-0.2500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k =-0.5000 0.0000 0.5000     band energies (ev):

     1.4602   9.5233  11.1705  17.9587  19.9901  26.2533

          k =-0.7500 0.2500 0.2500     band energies (ev):

     3.1398   7.5224  12.0333  15.5079  17.2172  24.6969

          k = 0.0000 0.0000 0.7500     band energies (ev):

     2.0193  10.9280  14.0599  14.5358  14.5358  18.2073

          k =-0.2500 0.2500 0.5000     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k =-0.8750 0.8750 0.1250     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k =-1.1250 1.1250-0.1250     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k =-0.8750 0.8750-0.1250     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k =-1.1250 1.1250-0.3750     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k =-0.8750 0.1250 0.8750     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k =-1.1250 0.3750 0.6250     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.8750 0.1250 0.8750     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k = 0.6250 0.3750 0.6250     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k = 0.8750-0.1250-0.8750     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k = 0.6250 0.1250-1.1250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.7500 0.7500 0.0000     band energies (ev):

     6.3734   6.8680   7.9531  15.0263  16.6761  24.2859

          k =-1.0000 1.0000-0.2500     band energies (ev):

     2.0193  10.9280  14.0599  14.5358  14.5358  18.2073

          k =-0.7500 0.0000 0.7500     band energies (ev):

     6.3734   6.8680   7.9531  15.0263  16.6761  24.2859

          k =-1.0000 0.2500 0.5000     band energies (ev):

     4.2441   7.9414   9.5098  13.1697  21.6040  24.9645

          k = 0.2500 0.0000-0.5000     band energies (ev):

    -0.2568  12.1645  13.7103  17.2562  20.6548  22.4779

          k = 0.0000 0.2500-0.7500     band energies (ev):

     2.5827  10.5751  11.2912  12.4301  19.1123  21.2515

          k = 0.2500 0.0000 0.5000     band energies (ev):

    -0.2568  12.1645  13.7103  17.2562  20.6548  22.4779

          k = 0.0000 0.2500 0.2500     band energies (ev):

    -2.0059  14.8070  16.1747  22.3353  22.5316  23.9983

          k = 0.0000-0.5000-0.2500     band energies (ev):

    -0.2568  12.1645  13.7103  17.2562  20.6548  22.4779

          k =-0.2500-0.2500-0.5000     band energies (ev):

     0.3186   9.1431  16.9629  17.6721  18.7362  24.8910

          k =-0.6250 0.8750 0.3750     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k =-0.8750 1.1250 0.1250     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k =-0.6250 0.8750-0.3750     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k =-0.8750 1.1250-0.6250     band energies (ev):

    -1.5644  13.6748  17.3095  18.8468  20.1252  22.7026

          k =-0.6250 0.3750 0.8750     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k =-0.8750 0.6250 0.6250     band energies (ev):

    -0.4006  10.5634  15.0573  20.2789  22.2920  22.3019

          k = 0.8750 0.3750 0.6250     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.6250 0.6250 0.3750     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k =-0.8750 0.3750 0.6250     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k =-1.1250 0.6250 0.3750     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.6250-0.3750-0.8750     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.3750-0.1250-1.1250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.6250-0.8750 0.3750     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k =-0.8750-0.6250 0.1250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.5000 0.7500 0.2500     band energies (ev):

     4.6529   4.9630  13.3015  13.9662  21.8095  22.3651

          k =-0.7500 1.0000 0.0000     band energies (ev):

     5.8516   7.2029  10.0447  11.7575  18.5868  20.8034

          k =-0.5000 0.2500 0.7500     band energies (ev):

     4.6529   4.9630  13.3015  13.9662  21.8095  22.3651

          k =-0.7500 0.5000 0.5000     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k =-0.7500 0.2500 0.5000     band energies (ev):

     4.6529   4.9630  13.3015  13.9662  21.8095  22.3651

          k =-1.0000 0.5000 0.2500     band energies (ev):

     4.2441   7.9414   9.5098  13.1697  21.6040  24.9645

          k =-0.7500 1.0000 0.2500     band energies (ev):

     2.5827  10.5751  11.2912  12.4301  19.1123  21.2515

          k =-1.0000 1.2500 0.0000     band energies (ev):

     5.8516   7.2029  10.0447  11.7575  18.5868  20.8034

          k =-0.7500 1.0000-0.2500     band energies (ev):

     2.5827  10.5751  11.2912  12.4301  19.1123  21.2515

          k =-1.0000 1.2500-0.5000     band energies (ev):

    -0.2568  12.1645  13.7103  17.2562  20.6548  22.4779

          k = 1.0000 0.2500 0.7500     band energies (ev):

     2.5827  10.5751  11.2912  12.4301  19.1123  21.2515

          k = 0.7500 0.5000 0.5000     band energies (ev):

     2.0234   6.4568  15.1470  18.4486  20.3705  22.4447

          k =-0.6250 0.8750 0.1250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.8750 1.1250-0.1250     band energies (ev):

     4.0826   8.6645  10.5468  14.4191  15.7418  20.0604

          k =-0.6250 0.8750-0.1250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.8750 1.1250-0.3750     band energies (ev):

     0.7486  11.5554  13.9821  15.3799  16.8434  20.9947

          k =-0.6250 0.1250 0.8750     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.8750 0.3750 0.6250     band energies (ev):

     1.8824   8.4270  12.9756  15.1044  21.3119  23.4587

          k = 0.8750 0.1250 0.6250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k = 0.6250 0.3750 0.3750     band energies (ev):

     3.0032   5.2359  16.0321  17.3396  19.1718  23.3122

          k =-0.8750 0.1250 0.6250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-1.1250 0.3750 0.3750     band energies (ev):

     4.1108   6.2840  10.9031  16.3669  18.2371  26.3747

          k = 0.6250-0.1250-0.8750     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k = 0.3750 0.1250-1.1250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.6250-0.8750 0.1250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.8750-0.6250-0.1250     band energies (ev):

     5.1679   7.3416   9.7863  12.0725  20.3589  24.5661

          k =-0.5000 0.7500 0.0000     band energies (ev):

     4.2441   7.9414   9.5098  13.1697  21.6040  24.9645

          k =-0.7500 1.0000-0.2500     band energies (ev):

     2.5827  10.5751  11.2912  12.4301  19.1123  21.2515

          k =-0.5000 0.0000 0.7500     band energies (ev):

     4.2441   7.9414   9.5098  13.1697  21.6040  24.9645

          k =-0.7500 0.2500 0.5000     band energies (ev):

     4.6529   4.9630  13.3015  13.9662  21.8095  22.3651

          k =-0.7500 0.0000 0.5000     band energies (ev):

     4.2441   7.9414   9.5098  13.1697  21.6040  24.9645

          k =-1.0000 0.2500 0.2500     band energies (ev):

     6.3734   6.8680   7.9531  15.0263  16.6761  24.2859

          k = 0.2500 0.0000 1.0000     band energies (ev):

     5.8516   7.2029  10.0447  11.7575  18.5868  20.8034

          k = 0.0000 0.2500 0.7500     band energies (ev):

     2.5827  10.5751  11.2912  12.4301  19.1123  21.2515

     the Fermi energy is     8.1818 ev

     Writing output data file al.save

                                                                                

     bravais-lattice index     =            2
     lattice parameter (a_0)   =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC (1100)
     EXX-fraction              =        0.00


     celldm(1)=    7.50000  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of a_0)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/a_0)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

   Cartesian axes

     site n.  atom      mass           positions (a_0 units)
        1        Al  26.9800   tau( 1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000   0.2500000  -0.2500000 )
 
      6 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    869 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   240  Methfessel-Paxton smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file Al.pz-vbc.UPF
     MD5 check sum: c34c8b369e81ee50c191f4345b5f621b
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  L_1 To be done

     Representation     2      2 modes -E    L_3 To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     4.47s CPU         4.64s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     5.0 secs   av.it.:   4.3
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.223E-01

      iter #   2 total cpu time :     5.4 secs   av.it.:   5.0
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.907E+00

      iter #   3 total cpu time :     5.7 secs   av.it.:   4.8
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.445E-06

      iter #   4 total cpu time :     6.0 secs   av.it.:   5.6
      thresh= 0.667E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.197E-08

      iter #   5 total cpu time :     6.4 secs   av.it.:   5.6
      thresh= 0.443E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.188E-09

      iter #   6 total cpu time :     6.7 secs   av.it.:   5.4
      thresh= 0.137E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.123E-08

      iter #   7 total cpu time :     6.9 secs   av.it.:   3.3
      thresh= 0.350E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.126E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     7.8 secs   av.it.:   3.5
      thresh= 0.100E-01 alpha_mix =  0.700 |ddv_scf|^2 =  0.372E-07

      iter #   2 total cpu time :     8.5 secs   av.it.:   6.2
      thresh= 0.193E-04 alpha_mix =  0.700 |ddv_scf|^2 =  0.347E-08

      iter #   3 total cpu time :     9.2 secs   av.it.:   5.8
      thresh= 0.589E-05 alpha_mix =  0.700 |ddv_scf|^2 =  0.114E-10

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    8
     List of q in the star:
          1  -0.250000000   0.250000000  -0.250000000
          2   0.250000000  -0.250000000  -0.250000000
          3   0.250000000  -0.250000000   0.250000000
          4   0.250000000   0.250000000   0.250000000
          5  -0.250000000  -0.250000000  -0.250000000
          6  -0.250000000  -0.250000000   0.250000000
          7  -0.250000000   0.250000000   0.250000000
          8   0.250000000   0.250000000  -0.250000000

     Diagonalizing the dynamical matrix

     q = (   -0.250000000   0.250000000  -0.250000000 ) 

 **************************************************************************
     omega( 1) =       3.546410 [THz] =     118.295496 [cm-1]
     omega( 2) =       3.546410 [THz] =     118.295496 [cm-1]
     omega( 3) =       6.379596 [THz] =     212.800419 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     omega(  1 -  2) =        118.3  [cm-1]   --> E    L_3           
     omega(  3 -  3) =        212.8  [cm-1]   --> A_1  L_1           

 **************************************************************************
     electron-phonon interaction  ...

     Gaussian Broadening:   0.005 Ry, ngauss=   0
     DOS =  1.338727 states/spin/Ry/Unit Cell at Ef=  8.321708 eV
     lambda( 1)=  0.0022   gamma=    0.04 GHz
     lambda( 2)=  0.0022   gamma=    0.04 GHz
     lambda( 3)=  0.0280   gamma=    1.46 GHz
     Gaussian Broadening:   0.010 Ry, ngauss=   0
     DOS =  1.881758 states/spin/Ry/Unit Cell at Ef=  8.327073 eV
     lambda( 1)=  0.0205   gamma=    0.46 GHz
     lambda( 2)=  0.0199   gamma=    0.45 GHz
     lambda( 3)=  0.2276   gamma=   16.65 GHz
     Gaussian Broadening:   0.015 Ry, ngauss=   0
     DOS =  2.123245 states/spin/Ry/Unit Cell at Ef=  8.328546 eV
     lambda( 1)=  0.0248   gamma=    0.63 GHz
     lambda( 2)=  0.0245   gamma=    0.62 GHz
     lambda( 3)=  0.2237   gamma=   18.46 GHz
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.249757 states/spin/Ry/Unit Cell at Ef=  8.324245 eV
     lambda( 1)=  0.0278   gamma=    0.75 GHz
     lambda( 2)=  0.0280   gamma=    0.76 GHz
     lambda( 3)=  0.1990   gamma=   17.40 GHz
     Gaussian Broadening:   0.025 Ry, ngauss=   0
     DOS =  2.329820 states/spin/Ry/Unit Cell at Ef=  8.317788 eV
     lambda( 1)=  0.0317   gamma=    0.89 GHz
     lambda( 2)=  0.0321   gamma=    0.90 GHz
     lambda( 3)=  0.1851   gamma=   16.76 GHz
     Gaussian Broadening:   0.030 Ry, ngauss=   0
     DOS =  2.396042 states/spin/Ry/Unit Cell at Ef=  8.311222 eV
     lambda( 1)=  0.0362   gamma=    1.04 GHz
     lambda( 2)=  0.0367   gamma=    1.05 GHz
     lambda( 3)=  0.1820   gamma=   16.95 GHz
     Gaussian Broadening:   0.035 Ry, ngauss=   0
     DOS =  2.455235 states/spin/Ry/Unit Cell at Ef=  8.305187 eV
     lambda( 1)=  0.0407   gamma=    1.20 GHz
     lambda( 2)=  0.0413   gamma=    1.22 GHz
     lambda( 3)=  0.1858   gamma=   17.73 GHz
     Gaussian Broadening:   0.040 Ry, ngauss=   0
     DOS =  2.507879 states/spin/Ry/Unit Cell at Ef=  8.299881 eV
     lambda( 1)=  0.0450   gamma=    1.36 GHz
     lambda( 2)=  0.0457   gamma=    1.38 GHz
     lambda( 3)=  0.1935   gamma=   18.86 GHz
     Gaussian Broadening:   0.045 Ry, ngauss=   0
     DOS =  2.552970 states/spin/Ry/Unit Cell at Ef=  8.295336 eV
     lambda( 1)=  0.0489   gamma=    1.50 GHz
     lambda( 2)=  0.0496   gamma=    1.52 GHz
     lambda( 3)=  0.2032   gamma=   20.16 GHz
     Gaussian Broadening:   0.050 Ry, ngauss=   0
     DOS =  2.589584 states/spin/Ry/Unit Cell at Ef=  8.291478 eV
     lambda( 1)=  0.0522   gamma=    1.62 GHz
     lambda( 2)=  0.0531   gamma=    1.65 GHz
     lambda( 3)=  0.2133   gamma=   21.46 GHz
 
 
     Number of q in the star =    8
     List of q in the star:
          1  -0.250000000   0.250000000  -0.250000000
          2   0.250000000  -0.250000000  -0.250000000
          3   0.250000000  -0.250000000   0.250000000
          4   0.250000000   0.250000000   0.250000000
          5  -0.250000000  -0.250000000  -0.250000000
          6  -0.250000000  -0.250000000   0.250000000
          7  -0.250000000   0.250000000   0.250000000
          8   0.250000000   0.250000000  -0.250000000
 
     init_run     :      0.03s CPU      0.03s WALL (       1 calls)
     electrons    :      3.23s CPU      3.34s WALL (       1 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       1 calls)
     potinit      :      0.00s CPU      0.00s WALL (       1 calls)

     Called by electrons:
     c_bands      :      3.22s CPU      3.32s WALL (       1 calls)
     v_of_rho     :      0.00s CPU      0.00s WALL (       2 calls)

     Called by c_bands:
     init_us_2    :      0.08s CPU      0.09s WALL (    2160 calls)
     cegterg      :      2.80s CPU      2.87s WALL (     240 calls)

     Called by *egterg:
     h_psi        :      2.18s CPU      2.22s WALL (    2962 calls)
     g_psi        :      0.07s CPU      0.07s WALL (    2482 calls)
     cdiaghg      :      0.65s CPU      0.67s WALL (    2722 calls)

     Called by h_psi:
     add_vuspsi   :      0.08s CPU      0.09s WALL (   11696 calls)

     General routines
     calbec       :      0.16s CPU      0.20s WALL (   23070 calls)
     fft          :      0.00s CPU      0.01s WALL (      46 calls)
     ffts         :      0.03s CPU      0.03s WALL (     366 calls)
     fftw         :      4.99s CPU      5.00s WALL (   75962 calls)
     davcio       :      0.03s CPU      0.12s WALL (    8581 calls)
 
     Parallel routines
 
     PHONON       :    12.09s CPU        12.56s WALL

     INITIALIZATION: 
     phq_setup    :      0.01s CPU      0.01s WALL (       1 calls)
     phq_init     :      0.04s CPU      0.05s WALL (       1 calls)
 
     phq_init     :      0.04s CPU      0.05s WALL (       1 calls)
     init_vloc    :      0.00s CPU      0.00s WALL (       2 calls)
     init_us_1    :      0.01s CPU      0.01s WALL (       2 calls)
 
     DYNAMICAL MATRIX:
     dynmat0      :      0.02s CPU      0.02s WALL (       1 calls)
     phqscf       :      4.52s CPU      4.81s WALL (       1 calls)
     dynmatrix    :      0.00s CPU      0.00s WALL (       1 calls)
 
     phqscf       :      4.52s CPU      4.81s WALL (       1 calls)
     solve_linter :      4.47s CPU      4.76s WALL (       2 calls)
     drhodv       :      0.04s CPU      0.05s WALL (       2 calls)
 
     dynmat0      :      0.02s CPU      0.02s WALL (       1 calls)
     dynmat_us    :      0.02s CPU      0.02s WALL (       1 calls)
     d2ionq       :      0.00s CPU      0.00s WALL (       1 calls)
 
     dynmat_us    :      0.02s CPU      0.02s WALL (       1 calls)
 
     phqscf       :      4.52s CPU      4.81s WALL (       1 calls)
     solve_linter :      4.47s CPU      4.76s WALL (       2 calls)
 
     solve_linter :      4.47s CPU      4.76s WALL (       2 calls)
     dvqpsi_us    :      0.39s CPU      0.39s WALL (     360 calls)
     ortho        :      0.02s CPU      0.03s WALL (    1560 calls)
     cgsolve      :      2.79s CPU      2.93s WALL (    1560 calls)
     incdrhoscf   :      0.43s CPU      0.46s WALL (    1560 calls)
     vpsifft      :      0.34s CPU      0.33s WALL (    1200 calls)
     dv_of_drho   :      0.00s CPU      0.00s WALL (      13 calls)
     mix_pot      :      0.00s CPU      0.01s WALL (      10 calls)
     psymdvscf    :      0.01s CPU      0.01s WALL (      10 calls)
 
     dvqpsi_us    :      0.39s CPU      0.39s WALL (     360 calls)
     dvqpsi_us_on :      0.02s CPU      0.02s WALL (     360 calls)
 
     cgsolve      :      2.79s CPU      2.93s WALL (    1560 calls)
     ch_psi       :      2.73s CPU      2.86s WALL (    8734 calls)
 
     ch_psi       :      2.73s CPU      2.86s WALL (    8734 calls)
     h_psiq       :      2.52s CPU      2.61s WALL (    8734 calls)
     last         :      0.15s CPU      0.18s WALL (    8734 calls)
 
     h_psiq       :      2.52s CPU      2.61s WALL (    8734 calls)
     firstfft     :      1.07s CPU      1.11s WALL (   14734 calls)
     secondfft    :      1.05s CPU      1.05s WALL (   14734 calls)
     add_vuspsi   :      0.08s CPU      0.09s WALL (   11696 calls)
 
     incdrhoscf   :      0.43s CPU      0.46s WALL (    1560 calls)
 
 
      General routines
     calbec       :      0.16s CPU      0.20s WALL (   23070 calls)
     fft          :      0.00s CPU      0.01s WALL (      46 calls)
     ffts         :      0.03s CPU      0.03s WALL (     366 calls)
     fftw         :      4.99s CPU      5.00s WALL (   75962 calls)
     davcio       :      0.03s CPU      0.12s WALL (    8581 calls)
     write_rec    :      0.04s CPU      0.04s WALL (      12 calls)
 
